#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3g n PRO 29 N 0.00 2.63 -1.32 1.61 -0.02 -1.26 -4.88 135.00 131.77 2k3g n PRO 29 Ca 0.00 0.96 -0.24 0.00 -2.02 0.00 0.00 63.50 62.20 2k3g n PRO 29 Cb 0.00 -2.88 -0.03 0.00 -0.02 0.00 0.00 33.50 30.57 2k3g n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3g n GLU 30 N 7.11 2.24 -2.48 -0.52 1.02 -1.26 -4.88 120.64 121.87 2k3g n GLU 30 Ca 0.21 -2.12 -0.40 0.00 -0.02 0.00 0.00 57.16 54.83 2k3g n GLU 30 Cb 0.37 -2.00 -0.01 0.00 -0.02 0.00 0.00 31.44 29.77 2k3g n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k3g s ASP 31 N 0.31 6.48 -0.06 1.62 1.01 -1.26 -4.87 116.67 119.89 2k3g s ASP 31 Ca 0.52 -2.23 -0.03 0.00 0.71 0.00 0.00 52.55 51.53 2k3g s ASP 31 Cb 0.35 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.73 2k3g s ASP 31 CO -0.16 -1.55 0.08 -0.89 0.21 0.00 0.00 175.17 172.87 2k3g s THR 32 N 5.54 -0.14 0.34 -1.27 2.01 -1.26 -5.14 115.64 115.72 2k3g s THR 32 Ca 0.56 0.34 -0.25 0.00 0.31 0.00 0.00 61.69 62.65 2k3g s THR 32 Cb 0.03 -0.23 -0.10 0.00 0.01 0.00 0.00 72.50 72.21 2k3g s THR 32 CO 0.08 0.12 0.96 -0.76 -0.69 0.00 0.00 174.62 174.32 2k3g s LEU 33 N 2.19 4.28 0.35 4.42 1.43 -1.26 -4.90 118.68 125.19 2k3g s LEU 33 Ca 0.04 1.85 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 2k3g s LEU 33 Cb -0.13 -4.08 -0.11 0.00 0.03 0.00 0.00 46.19 41.90 2k3g s LEU 33 CO -0.04 -0.15 1.50 -2.84 0.23 0.00 0.00 176.35 175.05 2k3g s PRO 34 N -2.21 4.14 -0.37 1.29 0.02 -1.26 -4.74 135.00 131.87 2k3g s PRO 34 Ca 0.52 2.54 0.12 0.00 0.02 0.00 0.00 61.00 64.20 2k3g s PRO 34 Cb -0.18 -3.00 0.41 0.00 0.02 0.00 0.00 34.50 31.76 2k3g s PRO 34 CO 0.23 -0.53 1.31 1.97 -0.33 0.00 0.00 177.00 179.66 2k3g n PHE 35 N 1.00 -1.55 -3.16 6.54 -1.74 -1.24 -4.97 117.46 112.33 2k3g n PHE 35 Ca 0.03 -2.04 0.03 0.00 -0.56 0.00 0.00 57.45 54.91 2k3g n PHE 35 Cb 0.39 1.15 -0.01 0.00 1.52 0.00 0.00 39.48 42.53 2k3g n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2k3g s LEU 36 N -3.42 -1.50 -0.29 5.98 2.96 -1.24 -4.90 118.68 116.27 2k3g s LEU 36 Ca 0.20 0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 54.33 2k3g s LEU 36 Cb 0.42 2.00 -0.04 0.00 0.50 0.00 0.00 46.19 49.06 2k3g s LEU 36 CO -0.07 -0.29 0.20 -0.75 -1.32 0.00 0.00 176.35 174.12 2k3g s LYS 37 N 2.81 3.86 -0.01 1.98 2.20 -1.26 -2.55 119.74 126.78 2k3g s LYS 37 Ca 0.13 -0.38 0.07 0.00 -0.36 0.00 0.00 55.97 55.44 2k3g s LYS 37 Cb -0.12 -3.69 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 2k3g s LYS 37 CO -0.25 -0.24 -0.24 0.00 -0.36 0.00 0.00 175.35 174.27 2k3g s TYR 39 N -0.59 3.46 -0.01 0.00 5.04 -1.26 -1.05 117.35 122.94 2k3g s TYR 39 Ca 0.09 1.44 0.08 0.00 -2.44 0.00 0.00 57.07 56.24 2k3g s TYR 39 Cb -0.09 -2.79 -0.02 0.00 0.35 0.00 0.00 41.96 39.40 2k3g s TYR 39 CO -0.01 -0.46 -0.25 0.00 -1.34 0.00 0.00 175.55 173.49 2k3g s SER 41 N -0.79 2.60 0.00 0.00 0.01 -1.26 -4.87 113.70 109.39 2k3g s SER 41 Ca 0.11 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2k3g s SER 41 Cb -0.10 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2k3g s SER 41 CO 0.00 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2k3g n GLY 42 N 2.65 1.30 3.35 3.44 0.00 -1.26 -3.12 105.19 111.55 2k3g n GLY 42 Ca -0.16 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2k3g n GLY 42 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k3g s HIS 43 N 0.00 2.89 -0.01 1.61 5.65 -1.26 -5.07 115.29 119.11 2k3g s HIS 43 Ca 0.00 -0.76 0.01 0.00 0.25 0.00 0.00 55.06 54.56 2k3g s HIS 43 Cb 0.00 -1.96 0.00 0.00 -1.18 0.00 0.00 32.58 29.45 2k3g s HIS 43 CO 0.00 -0.34 -0.02 0.00 -0.65 0.00 0.00 174.74 173.73 2k3g s PRO 45 N 0.19 2.49 0.56 0.00 0.04 -1.26 -4.87 135.00 132.15 2k3g s PRO 45 Ca -0.02 1.98 0.24 0.00 0.04 0.00 0.00 61.00 63.25 2k3g s PRO 45 Cb -0.04 -1.85 1.60 0.00 0.04 0.00 0.00 34.50 34.25 2k3g s PRO 45 CO -0.00 -1.62 2.21 0.22 0.04 0.00 0.00 177.00 177.84 2k3g h ASP 46 N 0.39 0.00 -0.41 6.66 3.58 -2.03 -1.17 116.42 123.45 2k3g h ASP 46 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k3g h ASP 46 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 2k3g h ASP 46 CO 0.52 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 175.98 2k3g n ASP 47 N -4.12 3.06 -4.87 2.28 5.68 -1.26 -4.97 116.55 112.35 2k3g n ASP 47 Ca -0.03 -2.24 -0.31 0.00 -0.50 0.00 0.00 54.79 51.72 2k3g n ASP 47 Cb 0.10 -0.44 0.03 0.00 -1.14 0.00 0.00 41.12 39.68 2k3g n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k3g s ALA 48 N -1.68 2.97 -0.01 2.12 0.00 -0.44 -5.08 121.76 119.64 2k3g s ALA 48 Ca 0.32 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.14 2k3g s ALA 48 Cb 0.20 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2k3g s ALA 48 CO 0.16 -0.93 -0.19 0.42 0.00 0.00 0.00 175.76 175.22 2k3g s ILE 49 N -3.25 1.47 -1.71 0.00 1.01 -1.13 -4.79 121.20 112.80 2k3g s ILE 49 Ca 0.57 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2k3g s ILE 49 Cb -0.11 -1.23 0.18 0.00 0.01 0.00 0.00 42.46 41.31 2k3g s ILE 49 CO 0.53 0.39 0.45 -0.46 0.00 0.00 0.00 174.94 175.85 2k3g n ASN 50 N 2.55 -1.17 -3.81 3.58 6.94 -1.26 -0.17 115.26 121.91 2k3g n ASN 50 Ca -0.15 -1.18 -0.27 0.00 -0.02 0.00 0.00 54.58 52.95 2k3g n ASN 50 Cb 0.54 -1.50 0.04 0.00 -2.36 0.00 0.00 39.78 36.49 2k3g n ASN 50 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k3g n ASN 51 N -2.36 -4.54 -4.09 0.53 5.03 -1.26 -4.97 115.26 103.60 2k3g n ASN 51 Ca 0.02 -0.73 -0.08 0.00 0.87 0.00 0.00 54.58 54.66 2k3g n ASN 51 Cb 0.47 -4.18 -0.10 0.00 -1.02 0.00 0.00 39.78 34.95 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2k3g s THR 52 N -3.36 0.18 0.12 3.41 -4.23 0.76 -1.75 115.64 110.76 2k3g s THR 52 Ca 0.54 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2k3g s THR 52 Cb -0.26 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 2k3g s THR 52 CO 0.80 -0.80 0.01 0.00 -0.54 0.00 0.00 174.62 174.09 2k3g s ILE 54 N -3.88 1.06 0.06 0.00 1.01 -1.26 -1.66 121.20 116.52 2k3g s ILE 54 Ca 0.19 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 2k3g s ILE 54 Cb 0.07 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 2k3g s ILE 54 CO -0.01 0.36 0.09 0.28 0.00 0.00 0.00 174.94 175.65 2k3g s THR 55 N 1.16 0.16 -0.32 2.92 -1.32 -1.06 -5.02 115.64 112.16 2k3g s THR 55 Ca -0.05 -1.36 0.08 0.00 -1.21 0.00 0.00 61.69 59.15 2k3g s THR 55 Cb -0.14 -1.25 0.55 0.00 -1.51 0.00 0.00 72.50 70.15 2k3g s THR 55 CO -0.02 -0.75 1.58 -0.46 -2.21 0.00 0.00 174.62 172.76 2k3g n ASN 56 N 0.28 2.88 0.00 8.08 6.94 -1.26 -3.59 115.26 128.58 2k3g n ASN 56 Ca -0.16 -3.70 0.00 0.00 -0.02 0.00 0.00 54.58 50.70 2k3g n ASN 56 Cb 0.61 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 2k3g n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k3g n GLY 57 N -1.08 0.73 3.21 4.83 0.00 -1.24 -4.66 105.19 106.97 2k3g n GLY 57 Ca 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 2k3g n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k3g s HIS 58 N 1.37 0.11 -0.07 1.61 3.76 -1.14 -4.91 115.29 116.02 2k3g s HIS 58 Ca 0.00 -0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 2k3g s HIS 58 Cb 0.00 -0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.60 2k3g s HIS 58 CO 0.00 -0.53 0.27 0.00 -0.85 0.00 0.00 174.74 173.64 2k3g s PHE 60 N -0.96 1.48 -0.10 0.00 -0.12 -0.98 -1.48 117.98 115.83 2k3g s PHE 60 Ca 0.19 -0.63 -0.15 0.00 -0.05 0.00 0.00 56.93 56.29 2k3g s PHE 60 Cb -0.14 -0.73 0.03 0.00 -0.63 0.00 0.00 43.02 41.55 2k3g s PHE 60 CO 0.08 0.20 0.38 0.00 -0.05 0.00 0.00 175.22 175.84 2k3g s ALA 61 N -2.83 -0.95 0.01 1.99 0.00 -0.84 -2.40 121.76 116.73 2k3g s ALA 61 Ca 0.16 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 2k3g s ALA 61 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2k3g s ALA 61 CO 0.04 -0.22 0.05 -1.50 0.00 0.00 0.00 175.76 174.13 2k3g s ILE 62 N -0.38 0.09 0.02 0.00 2.07 -0.60 -1.46 121.20 120.94 2k3g s ILE 62 Ca -0.05 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.46 2k3g s ILE 62 Cb -0.03 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 2k3g s ILE 62 CO 0.02 -0.41 -0.04 -0.51 -1.91 0.00 0.00 174.94 172.09 2k3g s ILE 63 N -1.30 0.28 -0.13 2.00 2.07 -0.62 -2.68 121.20 120.82 2k3g s ILE 63 Ca -0.14 -0.57 -0.13 0.00 -1.41 0.00 0.00 60.65 58.40 2k3g s ILE 63 Cb -0.08 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.22 2k3g s ILE 63 CO 0.00 -0.19 0.36 -1.61 -1.91 0.00 0.00 174.94 171.59 2k3g s GLU 64 N -0.81 0.44 -0.32 3.50 2.02 -1.23 -2.48 118.70 119.83 2k3g s GLU 64 Ca -0.06 0.44 -0.11 0.00 0.02 0.00 0.00 54.97 55.26 2k3g s GLU 64 Cb -0.06 0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.37 2k3g s GLU 64 CO -0.00 -0.06 0.19 -2.00 0.02 0.00 0.00 175.26 173.41 2k3g s GLU 65 N 0.06 3.54 0.78 1.61 -6.30 -1.20 -1.97 118.70 115.21 2k3g s GLU 65 Ca -0.01 -0.60 -0.07 0.00 -2.50 0.00 0.00 54.97 51.79 2k3g s GLU 65 Cb -0.03 -3.68 0.12 0.00 0.00 0.00 0.00 34.13 30.55 2k3g s GLU 65 CO 0.01 -0.37 1.08 0.16 0.02 0.00 0.00 175.26 176.16 2k3g s ASP 66 N 1.69 4.18 0.50 -1.70 1.47 -1.04 -4.82 116.67 116.95 2k3g s ASP 66 Ca 0.06 0.06 0.33 0.00 1.18 0.00 0.00 52.55 54.19 2k3g s ASP 66 Cb -0.17 -0.45 1.79 0.00 -0.34 0.00 0.00 42.92 43.76 2k3g s ASP 66 CO 0.09 -2.00 2.02 0.44 0.68 0.00 0.00 175.17 176.41 2k3g h ASP 67 N -0.83 0.00 0.41 2.11 3.32 -1.98 0.45 116.42 119.89 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k3g h ASP 67 CO 0.46 0.00 -0.68 0.00 -1.72 0.00 0.00 179.24 177.30 2k3g n GLN 68 N -2.68 0.05 -0.54 3.56 6.02 -1.26 -4.97 117.38 117.56 2k3g n GLN 68 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k3g n GLN 68 Cb 0.07 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2k3g n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k3g n GLY 69 N 1.48 0.74 3.88 1.08 0.00 0.15 -5.08 105.19 107.43 2k3g n GLY 69 Ca 0.05 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2k3g n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k3g s GLU 70 N -1.12 3.60 -0.16 1.61 2.02 -1.26 -4.89 118.70 118.49 2k3g s GLU 70 Ca 0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 54.97 54.82 2k3g s GLU 70 Cb 0.00 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2k3g s GLU 70 CO 0.00 0.69 0.35 0.95 0.02 0.00 0.00 175.26 177.27 2k3g s THR 71 N -1.20 5.26 -0.36 3.63 -4.23 -1.26 -2.48 115.64 115.00 2k3g s THR 71 Ca 0.24 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.26 2k3g s THR 71 Cb -0.13 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 2k3g s THR 71 CO 0.13 0.34 0.33 0.42 -0.54 0.00 0.00 174.62 175.30 2k3g s THR 72 N 0.71 5.20 -0.23 3.99 -4.23 -0.83 -4.92 115.64 115.32 2k3g s THR 72 Ca 0.19 -0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 2k3g s THR 72 Cb -0.14 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 2k3g s THR 72 CO 0.06 -0.13 0.31 -0.76 -0.54 0.00 0.00 174.62 173.56 2k3g s LEU 73 N 1.93 4.11 -0.01 4.79 1.43 -1.26 -3.47 118.68 126.20 2k3g s LEU 73 Ca 0.10 0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 53.44 2k3g s LEU 73 Cb -0.17 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.71 2k3g s LEU 73 CO 0.11 -0.05 0.16 0.00 0.23 0.00 0.00 176.35 176.81 2k3g s ALA 74 N 1.39 -0.39 0.14 4.21 0.00 -1.09 -4.32 121.76 121.69 2k3g s ALA 74 Ca 0.14 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 2k3g s ALA 74 Cb -0.15 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2k3g s ALA 74 CO 0.07 -0.19 0.16 -1.54 0.00 0.00 0.00 175.76 174.26 2k3g s SER 75 N -1.07 0.19 0.05 0.00 1.04 -1.18 -1.55 113.70 111.16 2k3g s SER 75 Ca -0.12 -1.04 -0.23 0.00 0.48 0.00 0.00 55.95 55.04 2k3g s SER 75 Cb -0.06 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.49 2k3g s SER 75 CO 0.02 -0.80 1.08 0.61 0.98 0.00 0.00 173.24 175.13 2k3g n GLY 76 N -0.14 0.40 3.78 7.32 0.00 -1.01 -4.25 105.19 111.29 2k3g n GLY 76 Ca -0.07 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 2k3g n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3g s MET 78 N -0.12 4.03 1.12 0.00 1.75 -0.60 -4.97 119.30 120.51 2k3g s MET 78 Ca 0.10 -0.28 -0.14 0.00 -1.25 0.00 0.00 55.69 54.13 2k3g s MET 78 Cb -0.11 -3.58 0.26 0.00 2.84 0.00 0.00 34.83 34.23 2k3g s MET 78 CO 0.00 -0.03 1.05 -1.59 -0.65 0.00 0.00 175.02 173.80 2k3g s LYS 79 N 1.33 -0.58 0.45 4.11 -2.85 -1.26 -2.90 119.74 118.04 2k3g s LYS 79 Ca 0.08 0.57 -0.24 0.00 -1.00 0.00 0.00 55.97 55.37 2k3g s LYS 79 Cb -0.14 -1.62 -0.07 0.00 -2.06 0.00 0.00 37.83 33.94 2k3g s LYS 79 CO 0.07 -3.42 1.28 -0.47 0.10 0.00 0.00 175.35 172.91 2k3g s TYR 80 N -2.70 2.70 0.00 1.78 5.04 -1.26 -4.66 117.35 118.24 2k3g s TYR 80 Ca 0.67 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.73 2k3g s TYR 80 Cb -0.21 -3.63 0.00 0.00 0.35 0.00 0.00 41.96 38.47 2k3g s TYR 80 CO 0.61 -2.15 0.00 0.39 -1.34 0.00 0.00 175.55 173.06 2k3g n GLU 81 N -0.31 0.00 0.00 4.97 1.02 -1.26 -5.06 120.64 120.00 2k3g n GLU 81 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2k3g n GLU 81 Cb 0.45 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 2k3g n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k3g n GLY 82 N 0.28 2.58 3.68 0.62 0.00 -1.26 -5.07 105.19 106.01 2k3g n GLY 82 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2k3g n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3g s SER 83 N 0.00 6.92 -0.05 1.61 0.01 -1.26 -4.93 113.70 116.00 2k3g s SER 83 Ca 0.00 1.93 -0.23 0.00 1.31 0.00 0.00 55.95 58.96 2k3g s SER 83 Cb 0.00 -2.55 -0.27 0.00 0.21 0.00 0.00 66.02 63.41 2k3g s SER 83 CO 0.00 -0.70 0.94 0.44 0.41 0.00 0.00 173.24 174.33 2k3g h ASP 84 N 7.93 0.34 -0.03 2.44 3.32 -2.00 -3.43 116.42 124.99 2k3g h ASP 84 Ca -0.34 -0.88 -0.16 0.00 0.02 0.00 0.00 57.03 55.67 2k3g h ASP 84 Cb 1.16 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 40.40 2k3g h ASP 84 CO 0.91 1.19 -0.45 2.22 -1.72 0.00 0.00 179.24 181.39 2k3g n PHE 85 N -4.32 -0.49 -1.29 4.55 -1.74 -1.26 -4.96 117.46 107.96 2k3g n PHE 85 Ca -0.12 -0.97 -0.37 0.00 -0.56 0.00 0.00 57.45 55.43 2k3g n PHE 85 Cb 0.66 0.66 -0.02 0.00 1.52 0.00 0.00 39.48 42.29 2k3g n PHE 85 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 2k3g n GLN 86 N -0.42 2.61 -1.19 3.97 6.02 -1.26 -4.54 117.38 122.57 2k3g n GLN 86 Ca -0.18 -2.09 -0.15 0.00 -0.01 0.00 0.00 57.00 54.57 2k3g n GLN 86 Cb 0.82 -2.91 0.14 0.00 1.02 0.00 0.00 30.24 29.31 2k3g n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k3g s LYS 88 N -3.43 1.96 -0.13 0.00 1.02 -1.26 -4.69 119.74 113.21 2k3g s LYS 88 Ca 0.50 0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.50 2k3g s LYS 88 Cb 0.43 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 2k3g s LYS 88 CO 0.01 -1.57 -0.05 -0.51 -0.92 0.00 0.00 175.35 172.31 2k3g s ASP 89 N -4.58 4.75 0.30 2.83 1.01 -1.26 -5.06 116.67 114.67 2k3g s ASP 89 Ca 0.62 -0.10 -0.27 0.00 0.71 0.00 0.00 52.55 53.51 2k3g s ASP 89 Cb -0.11 -1.62 -0.09 0.00 1.01 0.00 0.00 42.92 42.11 2k3g s ASP 89 CO 0.48 0.23 0.98 -0.55 0.21 0.00 0.00 175.17 176.53 2k3g s SER 90 N 0.01 7.32 -1.46 0.27 0.15 -1.26 -4.93 113.70 113.80 2k3g s SER 90 Ca 0.00 1.97 -0.10 0.00 0.70 0.00 0.00 55.95 58.52 2k3g s SER 90 Cb -0.13 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.51 2k3g s SER 90 CO 0.03 -0.08 2.70 -0.81 1.20 0.00 0.00 173.24 176.27 2k3g n PRO 91 N 0.82 3.26 -2.70 5.44 -0.04 -1.26 -4.25 135.00 136.27 2k3g n PRO 91 Ca 0.01 -2.11 -0.05 0.00 -0.04 0.00 0.00 63.50 61.30 2k3g n PRO 91 Cb 0.48 -2.81 0.10 0.00 -0.04 0.00 0.00 33.50 31.24 2k3g n PRO 91 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k3g n LYS 92 N 4.11 1.29 -3.66 0.54 4.81 -1.26 -5.12 118.16 118.88 2k3g n LYS 92 Ca 0.69 -1.99 -0.15 0.00 -0.87 0.00 0.00 58.31 56.00 2k3g n LYS 92 Cb 0.24 -0.21 -0.08 0.00 0.02 0.00 0.00 35.03 35.00 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k3g s ALA 93 N -0.64 -1.38 -0.81 3.14 0.00 -1.26 -5.08 121.76 115.73 2k3g s ALA 93 Ca 0.19 1.31 0.02 0.00 0.00 0.00 0.00 51.96 53.49 2k3g s ALA 93 Cb 0.42 -0.54 0.33 0.00 0.00 0.00 0.00 23.12 23.33 2k3g s ALA 93 CO -0.08 -0.29 1.38 0.94 0.00 0.00 0.00 175.76 177.71 2k3g n GLN 94 N 2.08 4.32 -3.62 0.00 7.27 -1.26 -4.99 117.38 121.18 2k3g n GLN 94 Ca -0.16 -4.76 -0.14 0.00 0.07 0.00 0.00 57.00 52.01 2k3g n GLN 94 Cb 0.56 -2.36 -0.06 0.00 2.41 0.00 0.00 30.24 30.80 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2k3g s LEU 95 N -3.85 0.12 -0.12 1.69 2.96 -1.26 -5.14 118.68 113.07 2k3g s LEU 95 Ca 0.44 0.16 -0.23 0.00 -0.22 0.00 0.00 54.13 54.27 2k3g s LEU 95 Cb 0.23 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.84 2k3g s LEU 95 CO -0.13 -0.66 0.70 -0.13 -1.32 0.00 0.00 176.35 174.81 2k3g s ARG 96 N -2.23 4.35 -0.15 1.98 1.81 -1.26 -5.04 118.95 118.40 2k3g s ARG 96 Ca -0.07 0.82 -0.28 0.00 -1.72 0.00 0.00 55.73 54.48 2k3g s ARG 96 Cb -0.01 -3.51 0.08 0.00 -0.45 0.00 0.00 34.95 31.06 2k3g s ARG 96 CO -0.00 -0.09 0.75 0.50 -0.68 0.00 0.00 175.30 175.78 2k3g s ARG 97 N 1.36 0.90 0.05 3.54 3.52 -1.26 -3.26 118.95 123.79 2k3g s ARG 97 Ca 0.35 0.53 0.03 0.00 -0.13 0.00 0.00 55.73 56.51 2k3g s ARG 97 Cb -0.17 0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 2k3g s ARG 97 CO 0.15 -0.22 -0.10 0.99 -0.81 0.00 0.00 175.30 175.31 2k3g s THR 98 N -0.53 0.71 0.04 4.11 2.01 -1.04 -4.89 115.64 116.07 2k3g s THR 98 Ca -0.05 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 2k3g s THR 98 Cb -0.02 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 2k3g s THR 98 CO 0.05 -0.29 0.07 -0.51 -0.69 0.00 0.00 174.62 173.25 2k3g s ILE 99 N -1.24 0.15 0.05 1.82 2.07 -1.26 -1.59 121.20 121.20 2k3g s ILE 99 Ca -0.06 -1.23 -0.08 0.00 -1.41 0.00 0.00 60.65 57.87 2k3g s ILE 99 Cb -0.09 -1.01 -0.00 0.00 0.13 0.00 0.00 42.46 41.48 2k3g s ILE 99 CO 0.01 -0.68 0.17 -1.61 -1.91 0.00 0.00 174.94 170.92 2k3g s GLU 100 N -2.90 0.72 0.03 3.50 2.02 -0.53 -4.95 118.70 116.59 2k3g s GLU 100 Ca -0.02 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.16 2k3g s GLU 100 Cb 0.01 0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.51 2k3g s GLU 100 CO -0.06 -0.21 0.03 0.00 0.02 0.00 0.00 175.26 175.04 2k3g n ARG 103 N 3.78 3.10 -4.04 0.00 0.63 -1.26 -1.74 116.66 117.13 2k3g n ARG 103 Ca -0.19 -3.87 -0.10 0.00 -0.92 0.00 0.00 57.85 52.77 2k3g n ARG 103 Cb 0.57 -2.27 -0.11 0.00 0.45 0.00 0.00 32.46 31.10 2k3g n ARG 103 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2k3g s THR 104 N -5.06 0.34 0.36 5.15 -4.23 -1.26 -5.06 115.64 105.88 2k3g s THR 104 Ca 0.53 -1.16 -0.28 0.00 -1.18 0.00 0.00 61.69 59.60 2k3g s THR 104 Cb 0.44 -0.66 -0.10 0.00 1.34 0.00 0.00 72.50 73.52 2k3g s THR 104 CO -0.18 -0.54 1.38 0.54 -0.54 0.00 0.00 174.62 175.28 2k3g s ASN 105 N -1.80 6.52 -1.29 3.99 2.20 -1.26 -2.27 114.94 121.01 2k3g s ASN 105 Ca -0.09 2.83 0.00 0.00 -0.94 0.00 0.00 52.86 54.66 2k3g s ASN 105 Cb -0.07 -2.66 0.00 0.00 -2.00 0.00 0.00 41.25 36.53 2k3g s ASN 105 CO -0.02 -0.73 0.00 0.18 -2.94 0.00 0.00 177.10 173.59 2k3g n LEU 106 N 0.54 -1.16 0.24 3.54 4.77 -0.97 -4.83 117.00 119.12 2k3g n LEU 106 Ca 0.01 0.23 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 2k3g n LEU 106 Cb 0.41 -2.19 0.57 0.00 -2.33 0.00 0.00 43.42 39.88 2k3g n LEU 106 CO 0.60 -0.38 0.87 0.00 -1.33 0.00 0.00 177.39 177.15 2k3g h ASN 108 N 0.00 0.31 -0.76 0.00 4.21 -1.88 -3.21 115.58 114.25 2k3g h ASN 108 Ca -0.00 -0.35 -0.04 0.00 1.21 0.00 0.00 56.30 57.12 2k3g h ASN 108 Cb 0.55 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.61 2k3g h ASN 108 CO 0.03 1.28 0.31 -0.61 -1.29 0.00 0.00 177.43 177.15 2k3g h GLN 109 N 0.05 1.12 -0.57 0.81 4.15 -1.77 -3.06 115.11 115.84 2k3g h GLN 109 Ca -0.13 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.09 2k3g h GLN 109 Cb 1.94 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.44 2k3g h GLN 109 CO 0.18 0.91 0.00 0.66 -1.93 0.00 0.00 178.83 178.64 2k3g n TYR 110 N -4.33 1.49 -3.93 3.99 4.01 -1.23 -4.87 117.16 112.30 2k3g n TYR 110 Ca 0.06 -0.66 -0.30 0.00 -0.16 0.00 0.00 57.90 56.84 2k3g n TYR 110 Cb 0.17 -0.30 -0.16 0.00 -0.31 0.00 0.00 39.34 38.75 2k3g n TYR 110 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2k3g s LEU 111 N -2.12 2.64 -0.27 7.72 2.96 -1.16 -5.10 118.68 123.35 2k3g s LEU 111 Ca 0.49 -1.24 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 2k3g s LEU 111 Cb 0.34 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.81 2k3g s LEU 111 CO 0.20 -0.25 0.26 -1.58 -1.32 0.00 0.00 176.35 173.66 2k3g s GLN 112 N 1.39 3.99 0.49 1.98 0.74 -1.26 -4.88 119.66 122.11 2k3g s GLN 112 Ca -0.04 -0.17 -0.22 0.00 0.05 0.00 0.00 55.36 54.97 2k3g s GLN 112 Cb -0.19 -3.64 -0.07 0.00 1.10 0.00 0.00 33.01 30.21 2k3g s GLN 112 CO -0.07 -0.18 1.18 -1.25 -0.55 0.00 0.00 175.29 174.41 2k3g s PRO 113 N 1.77 3.61 0.02 1.67 0.04 -1.26 -5.06 135.00 135.80 2k3g s PRO 113 Ca 0.10 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2k3g s PRO 113 Cb -0.16 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 2k3g s PRO 113 CO 0.10 -0.68 -0.04 0.95 0.04 0.00 0.00 177.00 177.37 2k3g s THR 114 N -1.57 0.20 0.63 1.26 -4.23 -1.26 -4.91 115.64 105.76 2k3g s THR 114 Ca 0.66 -0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 60.08 2k3g s THR 114 Cb -0.29 -0.33 -0.02 0.00 1.34 0.00 0.00 72.50 73.21 2k3g s THR 114 CO 0.34 -0.47 1.09 -0.76 -0.54 0.00 0.00 174.62 174.28 2k3g s LEU 115 N -1.48 3.43 0.76 4.79 1.43 -1.26 -4.75 118.68 121.60 2k3g s LEU 115 Ca -0.15 1.91 -0.13 0.00 -1.03 0.00 0.00 54.13 54.73 2k3g s LEU 115 Cb -0.10 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.64 2k3g s LEU 115 CO -0.01 -1.43 1.15 -2.84 0.23 0.00 0.00 176.35 173.45 2k3g s PRO 116 N -4.11 2.04 0.49 1.29 0.02 -1.26 -4.98 135.00 128.49 2k3g s PRO 116 Ca 0.65 1.53 -0.22 0.00 0.02 0.00 0.00 61.00 62.98 2k3g s PRO 116 Cb -0.18 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 2k3g s PRO 116 CO 0.40 -1.86 1.19 -1.25 -0.33 0.00 0.00 177.00 175.14 2k3g s PRO 117 N -4.29 3.57 0.09 5.54 0.04 -1.26 -4.96 135.00 133.73 2k3g s PRO 117 Ca 0.69 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 63.45 2k3g s PRO 117 Cb -0.24 -2.30 -0.20 0.00 0.04 0.00 0.00 34.50 31.80 2k3g s PRO 117 CO 0.49 -0.72 1.21 0.28 0.04 0.00 0.00 177.00 178.30 2k3g h VAL 118 N 1.66 1.36 -3.23 -0.36 2.07 -2.06 -3.44 116.25 112.24 2k3g h VAL 118 Ca -0.50 -2.49 -0.58 0.00 0.82 0.00 0.00 66.70 63.96 2k3g h VAL 118 Cb 1.26 2.55 -0.05 0.00 -1.52 0.00 0.00 31.29 33.53 2k3g h VAL 118 CO 0.59 0.75 -0.05 -0.69 0.02 0.00 0.00 177.57 178.19 2k3g s VAL 119 N -3.13 4.83 -0.45 2.57 1.01 -1.26 -5.02 120.40 118.95 2k3g s VAL 119 Ca -0.07 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.15 2k3g s VAL 119 Cb 0.07 -3.88 0.25 0.00 0.00 0.00 0.00 36.38 32.82 2k3g s VAL 119 CO 0.90 0.51 0.79 0.00 0.00 0.00 0.00 175.10 177.31 2k3g n ILE 120 N 2.06 -0.21 0.00 2.22 0.13 -1.26 -5.04 119.36 117.26 2k3g n ILE 120 Ca -0.10 -2.37 0.00 0.00 -1.10 0.00 0.00 62.75 59.18 2k3g n ILE 120 Cb 0.51 0.41 0.00 0.00 -0.84 0.00 0.00 39.64 39.72 2k3g n ILE 120 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2k3g n GLY 121 N 1.41 -0.87 3.23 4.50 0.00 -1.26 -5.14 105.19 107.06 2k3g n GLY 121 Ca 0.13 0.62 -0.41 0.00 0.00 0.00 0.00 46.02 46.36 2k3g n GLY 121 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k3g n PRO 122 N 0.00 0.00 -2.98 1.61 -0.02 -1.26 -4.92 135.00 127.43 2k3g n PRO 122 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 2k3g n PRO 122 Cb 0.00 -0.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 2k3g n PRO 122 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2k3g s PHE 123 N -1.64 3.80 0.19 6.00 -0.12 -1.26 -5.06 117.98 119.89 2k3g s PHE 123 Ca 0.58 1.53 -0.18 0.00 -0.05 0.00 0.00 56.93 58.82 2k3g s PHE 123 Cb -0.63 -2.81 0.03 0.00 -0.63 0.00 0.00 43.02 38.99 2k3g s PHE 123 CO 0.61 0.35 0.52 -0.59 -0.05 0.00 0.00 175.22 176.07 2k3g s PHE 124 N -0.42 -0.14 0.07 3.49 -0.12 -1.26 -5.19 117.98 114.41 2k3g s PHE 124 Ca 0.38 -0.20 -0.20 0.00 -0.05 0.00 0.00 56.93 56.86 2k3g s PHE 124 Cb -0.21 0.40 0.05 0.00 -0.63 0.00 0.00 43.02 42.62 2k3g s PHE 124 CO 0.24 -0.91 0.47 -0.51 -0.05 0.00 0.00 175.22 174.47 2k3g s ASP 125 N -2.87 -0.37 0.00 1.98 1.01 -1.26 -5.14 116.67 110.02 2k3g s ASP 125 Ca 0.09 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.37 2k3g s ASP 125 Cb -0.01 0.48 0.00 0.00 1.01 0.00 0.00 42.92 44.40 2k3g s ASP 125 CO -0.04 -0.74 0.00 0.61 0.21 0.00 0.00 175.17 175.21 2k3g n GLY 126 N 0.28 -0.97 3.87 0.21 0.00 -1.26 -4.96 105.19 102.37 2k3g n GLY 126 Ca -0.18 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 2k3g n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3g s SER 127 N -3.47 6.26 -0.07 1.61 1.04 -1.26 -5.05 113.70 112.77 2k3g s SER 127 Ca 0.00 1.35 -0.19 0.00 0.48 0.00 0.00 55.95 57.59 2k3g s SER 127 Cb 0.00 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.64 2k3g s SER 127 CO 0.00 -0.81 0.54 -0.63 0.98 0.00 0.00 173.24 173.32 2k3g s ILE 128 N -3.09 5.07 -2.50 -1.02 1.01 -1.26 -5.28 121.20 114.14 2k3g s ILE 128 Ca 0.54 1.11 0.28 0.00 0.00 0.00 0.00 60.65 62.58 2k3g s ILE 128 Cb -0.11 -3.88 0.55 0.00 0.01 0.00 0.00 42.46 39.04 2k3g s ILE 128 CO 0.51 0.36 1.75 -1.14 0.00 0.00 0.00 174.94 176.42